SCHEMBL4558301

SCHEMBL4558301

CC(C)(C)OC(=O)N1CCN(c2cccc3ccccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.59
ACHE P22303 1/20 0.56
CYP11B2 P19099 1/20 0.54
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
CKS1B P61024 2/20 0.52
SKP1 P63208 2/20 0.52
SKP2 Q13309 2/20 0.52
GBA1 P04062 2/20 0.51
HTR1A P08908 2/20 0.51
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 0.51
GPR119 Q8TDV5 1/20 0.50
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
DTYMK P23919 1/20 0.49
ALDH1A1 P00352 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31185603 0.86 HTR5A (0.55) BACE1ACHECKS1BSKP1SKP2
SCHEMBL5373948 0.86 BACE1 (0.49) BACE1ACHECYP11B2CHRM2CHRM4
SCHEMBL5372246 0.86 HTR5A (0.55) BACE1ACHECKS1BSKP1SKP2
SCHEMBL5375656 0.85 SMARCA2 (0.54) BACE1ACHECHRM2CHRM4CHRM1
SCHEMBL6308917 0.85 BACE1 (0.51) BACE1ACHECYP11B2CKS1BSKP1
SCHEMBL5375431 0.85 BACE1 (0.51) BACE1ACHECKS1BSKP1SKP2
SCHEMBL5363596 0.85 GBA1 (0.53) BACE1ACHECYP11B2CKS1BSKP1
SCHEMBL2416196 0.85 CYP11B2 (0.56) BACE1ACHECYP11B2CHRM1CKS1B
SCHEMBL5373904 0.85 BACE1 (0.51) BACE1ACHECKS1BSKP1SKP2
SCHEMBL5368930 0.85 BACE1 (0.48) BACE1ACHECYP11B2CKS1BSKP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891369-B2 Compounds for binding proprotein convertase subtilisin/kexin type 9 SRX CARDIO, LLC (US) 2024-02-06 US disclosed
CN-112341396-B Novel monoacylglycerol esterase inhibitor and preparation method and application thereof 四川大学华西医院 2022-07-26 CN disclosed
CN-112341396-A Novel monoacylglycerol esterase inhibitor and preparation method and application thereof 四川大学华西医院 2021-02-09 CN disclosed
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 SRX CARDIO, LLC 2021-02-04 US disclosed
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC 2019-04-25 US disclosed
WO-2017147328-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PORTOLA PHARMACEUTICALS, INC. (US) 2017-08-31 WO disclosed
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 US disclosed
EP-1836192-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Universita' Degli Studi di Siena (IT) 2007-09-26 EP disclosed
WO-2006072608-A2 ARYL PIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2006-07-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11891369-B2 Compounds for binding proprotein convertase subtilisin/kexin type 9 PCSK9, PCSK6, PCSK7 BACE1 28/4885ACHE 1412/4885CYP11B2 2362/4885
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 PCSK9, PCSK6, PCSK7 BACE1 25/4885ACHE 1622/4885CYP11B2 2132/4885
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 BACE1 33/4885ACHE 1347/4885CYP11B2 2573/4885
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 BACE1 2275/4885ACHE 3566/4885CYP11B2 1178/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.